9-[(3-methoxyphenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine

Systemtic Name: 9-[(3-methoxyphenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine Openeye Name: 9-[(3-methoxyphenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine CAS Name: 9-[(3-methoxyphenyl)methyl]-6-[(4-nitrophenyl)methylthio]purine IUPAC Name: 9-[(3-methoxyphenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine Traditional Name: 9-m-anisyl-6-[(4-nitrobenzyl)thio]purine Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)CN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O3S/c1-28-17-4-2-3-15(9-17)10-24-13-23-18-19(24)21-12-22-20(18)29-11-14-5-7-16(8-6-14)25(26)27/h2-9,12-13H,10-11H2,1H3